6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide

C14H16BrN3O2 — CID 66462156

IUPAC6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(Br)nc1)c1ccco1
InChIInChI=1S/C14H16BrN3O2/c1-18(2)11(12-4-3-7-20-12)9-17-14(19)10-5-6-13(15)16-8-10/h3-8,11H,9H2,1-2H3,(H,17,19)
InChIKeyIMMZONUMJRWAMS-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.47
Rot. Bonds5

About 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide

6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 66462156) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID66462156
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(Br)nc1)c1ccco1
InChIInChI=1S/C14H16BrN3O2/c1-18(2)11(12-4-3-7-20-12)9-17-14(19)10-5-6-13(15)16-8-10/h3-8,11H,9H2,1-2H3,(H,17,19)
InChIKeyIMMZONUMJRWAMS-UHFFFAOYSA-N
XLogP2.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 39711465
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94184782
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide (CID 66462156) is 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide is CN(C)C(CNC(=O)c1ccc(Br)nc1)c1ccco1.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IMMZONUMJRWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-18(2)11(12-4-3-7-20-12)9-17-14(19)10-5-6-13(15)16-8-10/h3-8,11H,9H2,1-2H3,(H,17,19).
What are the key properties of 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).